기본 정보
- CAS
78441-62-0- 표준 SMILES
CN(C)Cc1nc(CSCCN)cs1- InChIKey
FDMDNIIUCZHKFE-UHFFFAOYSA-N- 분자식
- C9H17N3S2
- 평균 분자량
- 231.4 g/mol
- 단동위원소 질량
- 231.08638954
이름 및 식별자
- 우선 이름
- 2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole
- IUPAC
- 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
- 현지명
- 2-(디메틸아미노메틸)-4-(2-아미노에틸티오메틸)티아졸
- 영어명
- 2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole
- 분자식
- C9H17N3S2
- 분자량
- 231.38
이름 및 동의어
78441-62-02-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazoleHHG5BM73J94-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-2-thiazolemethanamine4-[[(2-aminoethyl)thio]methyl]-N,N-dimethylthiazole-2-methylamineNIZATIDINE IMPURITY D [EP IMPURITY]4-(((2-Aminoethyl)thio)methyl)-N,N-dimethylthiazole-2-methylamine2-(((2-((DIMETHYLAMINO)METHYL)THIAZOL-4-YL)METHYL)SULFANYL)ETHANAMINE4-(((2-AMINOETHYL)THIO)METHYL)-N,N-DIMETHYL-2-THIAZOLEMETHANAMINENIZATIDINE IMPURITY D (EP IMPURITY)RefChem:197628278-909-9
이름 더 보기
2-(디메틸아미노메틸)-4-(2-아미노에틸티오메틸)티아졸Einecs 278-909-9Nizatidine intermediateNizatidine Impurity 4(Nizatidine EP Impurity D)2-(2-(Dimethylaminomethyl-4-thiazol)methylthio)ethylamine2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazol2-(Dimethylaminomethyl)-4-(2-Aminoethylthionmethyl)Thiazole4-(2-aminoethylthiomethyl)-1,3-thiazol-2-ylmethyldimethylamine2-[[2-[(dimethylamino)methyl]-4-thiazolyl]methylthio]ethanamine2-(((2-((methylamino)methyl)thiazol-4-yl)methyl)thio)ethanamine
2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethanamineNizatidine EP Impurity DMFCD08703310C9H17N3S22-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethan-1-amine2-[(N,N-Dimethylamino)methyl]-4-[(2-aminoethyl)thiomethyl] thiazole2-Thiazolemethanamine, 4-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-
데이터베이스 식별자
- CAS
78441-62-0- PubChem CID
- 10977318
- DTXSID
DTXSID00999768- UNII
- HHG5BM73J9
- EC Number
- 278-909-9
- Nikkaji
- J319.767K
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 95.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 155
물리화학적 성질
- 끓는 점
- 338.9 · 338.9±37.0 °C(Predicted)
- 밀도
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 8.83 · 8.83±0.10(Predicted)
- 물리적 상태
- Oil to Thick Oil
- 색상
- Yellow to Very Dark Red
화학적 성질
Brown Liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole (Nizatidine EP Impurity D) is a Nizatidine intermediate.
상·하류 제품 정보
상류 원료
하류 제품
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